5-[(1S,5R)-3-azabicyclo[3.3.1]non-6-en-7-yl]pyridine-3-carbonitrile

C14H15N3 — CID 71453630

IUPAC5-[(1S,5R)-3-azabicyclo[3.3.1]non-6-en-7-yl]pyridine-3-carbonitrile
SMILESN#Cc1cncc(C2=C[C@@H]3CNC[C@H](C2)C3)c1
InChIInChI=1S/C14H15N3/c15-5-12-4-14(9-17-8-12)13-2-10-1-11(3-13)7-16-6-10/h2,4,8-11,16H,1,3,6-7H2/t10-,11+/m1/s1
InChIKeyDEXLAAAKAUMETM-MNOVXSKESA-N
MW225.30 g/mol
LogP1.97
Rot. Bonds1

About 5-[(1S,5R)-3-azabicyclo[3.3.1]non-6-en-7-yl]pyridine-3-carbonitrile

5-[(1S,5R)-3-azabicyclo[3.3.1]non-6-en-7-yl]pyridine-3-carbonitrile (PubChem CID 71453630) has the molecular formula C14H15N3 and a molecular weight of 225.30 g/mol. Its IUPAC name is 5-[(1S,5R)-3-azabicyclo[3.3.1]non-6-en-7-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[(1S,5R)-3-azabicyclo[3.3.1]non-6-en-7-yl]pyridine-3-carbonitrile
PubChem CID71453630
Molecular FormulaC14H15N3
Molecular Weight225.30 g/mol
Exact Mass225.13
IUPAC Name5-[(1S,5R)-3-azabicyclo[3.3.1]non-6-en-7-yl]pyridine-3-carbonitrile
SMILESN#Cc1cncc(C2=C[C@@H]3CNC[C@H](C2)C3)c1
InChIInChI=1S/C14H15N3/c15-5-12-4-14(9-17-8-12)13-2-10-1-11(3-13)7-16-6-10/h2,4,8-11,16H,1,3,6-7H2/t10-,11+/m1/s1
InChIKeyDEXLAAAKAUMETM-MNOVXSKESA-N
XLogP1.97
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(1S,5R)-3-azabicyclo[3.3.1]non-6-en-7-yl]pyridine-3-carbonitrile?
The IUPAC name of 5-[(1S,5R)-3-azabicyclo[3.3.1]non-6-en-7-yl]pyridine-3-carbonitrile (CID 71453630) is 5-[(1S,5R)-3-azabicyclo[3.3.1]non-6-en-7-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 5-[(1S,5R)-3-azabicyclo[3.3.1]non-6-en-7-yl]pyridine-3-carbonitrile?
The canonical SMILES for 5-[(1S,5R)-3-azabicyclo[3.3.1]non-6-en-7-yl]pyridine-3-carbonitrile is N#Cc1cncc(C2=C[C@@H]3CNC[C@H](C2)C3)c1.
What is the InChIKey of 5-[(1S,5R)-3-azabicyclo[3.3.1]non-6-en-7-yl]pyridine-3-carbonitrile?
The InChIKey is DEXLAAAKAUMETM-MNOVXSKESA-N. The full InChI is InChI=1S/C14H15N3/c15-5-12-4-14(9-17-8-12)13-2-10-1-11(3-13)7-16-6-10/h2,4,8-11,16H,1,3,6-7H2/t10-,11+/m1/s1.
What are the key properties of 5-[(1S,5R)-3-azabicyclo[3.3.1]non-6-en-7-yl]pyridine-3-carbonitrile?
5-[(1S,5R)-3-azabicyclo[3.3.1]non-6-en-7-yl]pyridine-3-carbonitrile has a molecular weight of 225.30 g/mol, XLogP of 1.97, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1S,5R)-3-azabicyclo[3.3.1]non-6-en-7-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 71453630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).